==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 24-AUG-04 1X9V . COMPND 2 MOLECULE: VPR PROTEIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR S.BOURBIGOT,H.BELTZ,J.DENIS,N.MORELLET,B.P.ROQUES,Y.MELY, . 90 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9164.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 56 62.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 4 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 46.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 52 A D > 0 0 154 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -0.9 1.4 0.3 10.0 2 53 A T T 4 + 0 0 117 2,-0.2 4,-0.2 1,-0.1 0, 0.0 0.963 360.0 2.6 -47.5 -75.0 3.1 3.6 9.1 3 54 A W T >>>S+ 0 0 80 2,-0.2 3,-2.9 1,-0.2 4,-2.6 0.913 127.7 64.9 -82.2 -43.9 1.8 3.9 5.5 4 55 A T H 3>5S+ 0 0 87 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.797 105.0 50.5 -49.7 -22.4 -0.3 0.7 5.6 5 56 A G H 3<5S+ 0 0 11 -4,-1.3 -1,-0.3 3,-0.1 -2,-0.2 0.656 118.3 37.5 -89.9 -15.8 -2.3 2.7 8.1 6 57 A V H X>5S+ 0 0 23 -3,-2.9 4,-3.0 -4,-0.2 3,-0.7 0.863 113.2 50.6 -99.3 -54.9 -2.5 5.7 5.8 7 58 A E H 3X5S+ 0 0 78 -4,-2.6 4,-1.7 1,-0.3 5,-0.3 0.934 116.5 44.3 -50.6 -45.9 -2.9 4.2 2.3 8 59 A A H 3X S+ 0 0 80 -3,-0.7 4,-1.3 -6,-0.3 -2,-0.2 0.739 104.9 58.2 -88.1 -22.4 -7.0 5.3 5.5 10 61 A I H X S+ 0 0 26 -4,-3.0 4,-1.1 2,-0.2 -2,-0.2 0.891 118.7 30.7 -71.9 -37.4 -6.7 7.2 2.2 11 62 A R H X S+ 0 0 122 -4,-1.7 4,-5.0 -5,-0.3 5,-0.3 0.871 112.7 61.0 -88.0 -42.7 -9.1 4.8 0.6 12 63 A I H X S+ 0 0 69 -4,-2.0 4,-2.1 -5,-0.3 -3,-0.2 0.903 111.5 42.8 -53.8 -36.8 -11.2 3.9 3.6 13 64 A L H X S+ 0 0 24 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.921 118.2 43.7 -76.6 -41.1 -12.1 7.6 3.8 14 65 A Q H X S+ 0 0 82 -4,-1.1 4,-2.7 -5,-0.2 -2,-0.2 0.928 113.1 53.7 -68.9 -40.2 -12.6 7.9 0.0 15 66 A Q H X S+ 0 0 113 -4,-5.0 4,-1.2 2,-0.2 -2,-0.2 0.975 109.3 47.7 -58.0 -53.7 -14.5 4.6 -0.0 16 67 A L H >X S+ 0 0 90 -4,-2.1 3,-2.4 -5,-0.3 4,-2.1 0.979 111.7 48.7 -52.2 -61.9 -16.9 5.8 2.7 17 68 A L H 3X S+ 0 0 29 -4,-2.1 4,-2.5 1,-0.3 5,-0.5 0.924 102.7 63.1 -44.9 -48.7 -17.6 9.1 1.0 18 69 A F H 3X S+ 0 0 127 -4,-2.7 4,-1.1 1,-0.2 -1,-0.3 0.852 110.5 40.7 -47.3 -32.3 -18.2 7.2 -2.2 19 70 A I H S+ 0 0 68 -4,-2.1 4,-1.4 1,-0.2 5,-0.8 0.906 115.1 40.0 -46.7 -45.8 -22.5 8.7 1.5 21 72 A F H X5S+ 0 0 95 -4,-2.5 4,-0.7 3,-0.2 -1,-0.2 0.896 120.3 43.5 -74.3 -38.3 -22.9 10.5 -1.8 22 73 A R H <5S+ 0 0 123 -4,-1.1 6,-0.2 -5,-0.5 -2,-0.2 0.506 130.1 28.7 -84.8 -0.9 -24.2 7.4 -3.7 23 74 A I H <5S+ 0 0 89 -4,-1.8 -2,-0.2 -3,-0.2 -3,-0.2 0.377 130.3 35.1-135.1 -2.0 -26.5 6.5 -0.7 24 75 A G H <5S+ 0 0 50 -4,-1.4 -3,-0.2 -5,-0.4 -2,-0.1 0.629 127.2 31.9-123.0 -33.2 -27.2 9.9 0.9 25 76 A C S <> + 0 0 150 -2,-0.3 4,-0.9 2,-0.1 3,-0.8 -0.189 39.8 173.5 -90.9 46.1 -34.9 2.5 -3.8 30 81 A I T 34 + 0 0 144 -2,-0.6 -2,-0.0 1,-0.2 -3,-0.0 -0.346 67.4 27.8 -56.3 110.4 -33.8 -1.1 -4.0 31 82 A G T 34 S+ 0 0 68 -2,-0.4 -1,-0.2 0, 0.0 -2,-0.1 -0.381 110.5 61.5 134.2 -58.6 -36.9 -3.0 -2.7 32 83 A I T <4 + 0 0 46 -3,-0.8 -2,-0.1 5,-0.0 -3,-0.0 0.996 60.8 168.5 -64.6 -62.4 -39.9 -0.8 -3.5 33 84 A I S < S- 0 0 117 -4,-0.9 -3,-0.1 1,-0.1 3,-0.0 0.963 83.7 -25.0 46.9 71.5 -39.5 -0.8 -7.4 34 85 A Q S S+ 0 0 179 1,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.996 116.4 105.2 59.1 69.8 -42.9 0.8 -8.1 35 86 A Q - 0 0 126 2,-0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.218 59.4-147.0-176.6 75.2 -44.8 -0.3 -5.0 36 87 A R - 0 0 208 1,-0.2 2,-3.2 2,-0.1 0, 0.0 -0.138 34.5-107.7 -48.0 142.1 -45.5 2.2 -2.2 37 88 A R - 0 0 196 1,-0.2 -1,-0.2 4,-0.0 -5,-0.0 -0.293 61.8 -84.5 -72.6 63.7 -45.4 0.6 1.2 38 89 A T S > S- 0 0 94 -2,-3.2 4,-0.9 3,-0.1 -1,-0.2 0.845 78.1 -83.9 38.3 38.9 -49.2 0.9 1.6 39 90 A R T 4 - 0 0 185 1,-0.2 3,-0.1 2,-0.1 0, 0.0 0.032 70.0 -54.4 57.7-177.0 -48.6 4.4 2.8 40 91 A N T 4 S- 0 0 175 1,-0.2 -1,-0.2 2,-0.0 -2,-0.0 0.938 117.6 -35.1 -61.6 -44.3 -47.8 5.0 6.5 41 92 A G T 4 + 0 0 66 1,-0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.274 63.0 165.7 179.8 83.9 -50.9 3.1 7.7 42 93 A A < - 0 0 49 -4,-0.9 -3,-0.1 1,-0.3 3,-0.1 -0.129 51.5-119.8 -99.3 39.8 -54.2 3.3 5.7 43 94 A S - 0 0 110 1,-0.1 2,-0.4 -5,-0.1 -1,-0.3 -0.078 43.1 -70.8 53.6-160.8 -55.8 0.3 7.5 44 95 A K 0 0 197 1,-0.1 -1,-0.1 -3,-0.1 0, 0.0 -0.974 360.0 360.0-134.0 124.4 -56.8 -2.6 5.3 45 96 A S 0 0 189 -2,-0.4 -1,-0.1 -3,-0.1 0, 0.0 -0.083 360.0 360.0 47.0 360.0 -59.7 -2.6 2.8 46 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 47 52 B D > 0 0 153 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -0.8 -17.0 18.5 10.3 48 53 B T T 4 + 0 0 117 2,-0.2 4,-0.2 1,-0.1 3,-0.0 0.963 360.0 2.6 -47.6 -75.0 -18.7 15.2 9.5 49 54 B W T >>>S+ 0 0 77 2,-0.2 3,-2.9 1,-0.2 4,-2.6 0.913 127.7 64.9 -82.1 -44.0 -17.6 15.0 5.8 50 55 B T H 3>5S+ 0 0 87 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.798 105.0 50.5 -49.7 -22.3 -15.5 18.1 5.7 51 56 B G H 3<5S+ 0 0 12 -4,-1.3 -1,-0.3 3,-0.1 -2,-0.2 0.656 118.3 37.5 -90.0 -15.7 -13.4 16.1 8.3 52 57 B V H X>5S+ 0 0 24 -3,-2.9 4,-3.0 -4,-0.2 3,-0.7 0.864 113.2 50.6 -99.3 -54.9 -13.3 13.1 6.0 53 58 B E H 3X5S+ 0 0 77 -4,-2.6 4,-1.7 1,-0.3 5,-0.3 0.934 116.5 44.3 -50.7 -45.8 -13.0 14.6 2.4 54 59 B A H 3X S+ 0 0 79 -3,-0.7 4,-1.3 -6,-0.3 -2,-0.2 0.740 104.9 58.2 -88.1 -22.3 -8.8 13.6 5.4 56 61 B I H X S+ 0 0 26 -4,-3.0 4,-1.0 2,-0.2 -2,-0.2 0.891 118.7 30.7 -71.9 -37.4 -9.2 11.6 2.2 57 62 B R H X S+ 0 0 119 -4,-1.7 4,-5.0 -5,-0.3 5,-0.3 0.871 112.7 61.0 -88.0 -42.7 -6.9 14.0 0.4 58 63 B I H X S+ 0 0 70 -4,-2.0 4,-2.1 -5,-0.3 -3,-0.2 0.903 111.5 42.8 -53.8 -36.8 -4.7 15.0 3.4 59 64 B L H X S+ 0 0 25 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.920 118.2 43.7 -76.6 -41.0 -3.7 11.3 3.6 60 65 B Q H X S+ 0 0 83 -4,-1.0 4,-2.7 -5,-0.2 -2,-0.2 0.928 113.1 53.7 -69.2 -40.2 -3.3 10.9 -0.2 61 66 B Q H X S+ 0 0 112 -4,-5.0 4,-1.2 2,-0.2 -2,-0.2 0.975 109.3 47.6 -58.0 -53.7 -1.5 14.2 -0.3 62 67 B L H >X S+ 0 0 91 -4,-2.1 3,-2.4 -5,-0.3 4,-2.2 0.978 111.7 48.7 -52.2 -61.9 1.0 13.1 2.3 63 68 B L H 3X S+ 0 0 29 -4,-2.1 4,-2.5 1,-0.3 5,-0.5 0.924 102.7 63.1 -44.8 -48.7 1.7 9.7 0.7 64 69 B F H 3X S+ 0 0 128 -4,-2.7 4,-1.1 1,-0.2 -1,-0.3 0.852 110.5 40.7 -47.2 -32.2 2.2 11.6 -2.6 65 70 B I H S+ 0 0 69 -4,-2.2 4,-1.4 1,-0.2 5,-0.8 0.906 115.0 40.0 -46.7 -45.8 6.5 10.2 0.9 67 72 B F H X5S+ 0 0 97 -4,-2.5 4,-0.7 3,-0.2 -1,-0.2 0.896 120.3 43.5 -74.3 -38.2 6.9 8.3 -2.4 68 73 B R H <5S+ 0 0 125 -4,-1.1 6,-0.2 -5,-0.5 -2,-0.2 0.505 130.1 28.7 -84.9 -0.9 8.1 11.4 -4.3 69 74 B I H <5S+ 0 0 88 -4,-1.8 -2,-0.2 -3,-0.2 -3,-0.2 0.377 130.3 35.1-135.0 -2.0 10.4 12.3 -1.5 70 75 B G H <5S+ 0 0 50 -4,-1.4 -3,-0.2 -5,-0.4 -2,-0.1 0.629 127.2 31.9-122.9 -33.3 11.2 9.0 0.2 71 76 B C S <> + 0 0 151 -2,-0.3 4,-0.9 2,-0.1 3,-0.8 -0.190 39.9 173.4 -90.9 45.9 18.8 16.3 -4.9 76 81 B I T 34 + 0 0 146 -2,-0.6 -2,-0.0 1,-0.2 -3,-0.0 -0.347 67.4 27.7 -56.2 110.4 17.6 20.0 -5.1 77 82 B G T 34 S+ 0 0 70 -2,-0.4 -1,-0.2 0, 0.0 -2,-0.1 -0.381 110.5 61.5 134.1 -58.6 20.7 21.9 -4.0 78 83 B I T <4 + 0 0 45 -3,-0.8 -2,-0.1 5,-0.0 -3,-0.0 0.996 60.8 168.5 -64.8 -62.3 23.7 19.7 -4.9 79 84 B I S < S- 0 0 116 -4,-0.9 -3,-0.1 1,-0.1 3,-0.0 0.962 83.7 -25.0 46.8 71.4 23.2 19.6 -8.7 80 85 B Q S S+ 0 0 181 1,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.996 116.4 105.1 59.2 69.7 26.6 18.1 -9.6 81 86 B Q - 0 0 126 2,-0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.218 59.4-147.0-176.6 75.2 28.6 19.2 -6.5 82 87 B R - 0 0 210 1,-0.2 2,-3.2 2,-0.1 0, 0.0 -0.137 34.5-107.7 -48.0 142.2 29.4 16.7 -3.8 83 88 B R - 0 0 195 1,-0.2 -1,-0.2 4,-0.0 -5,-0.0 -0.294 61.8 -84.4 -72.7 63.7 29.4 18.4 -0.3 84 89 B T S > S- 0 0 94 -2,-3.2 4,-0.9 3,-0.1 -1,-0.2 0.844 78.1 -83.9 38.3 38.9 33.3 18.2 -0.1 85 90 B R T 4 - 0 0 185 1,-0.2 3,-0.1 2,-0.1 0, 0.0 0.032 69.9 -54.3 57.6-177.0 32.7 14.6 1.2 86 91 B N T 4 S- 0 0 177 1,-0.2 -1,-0.2 2,-0.0 -2,-0.0 0.938 117.6 -35.2 -61.6 -44.2 32.0 14.2 4.9 87 92 B G T 4 + 0 0 66 1,-0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.274 63.0 165.7 179.7 84.0 35.1 16.1 5.9 88 93 B A < - 0 0 48 -4,-0.9 -3,-0.1 1,-0.3 3,-0.1 -0.128 51.5-119.8 -99.4 39.8 38.3 15.8 3.8 89 94 B S - 0 0 108 1,-0.1 2,-0.4 -5,-0.1 -1,-0.3 -0.079 43.1 -70.8 53.7-160.8 40.0 18.9 5.5 90 95 B K 0 0 191 1,-0.1 -1,-0.1 -3,-0.1 0, 0.0 -0.975 360.0 360.0-134.0 124.4 40.9 21.8 3.2 91 96 B S 0 0 194 -2,-0.4 -1,-0.1 -3,-0.1 0, 0.0 -0.082 360.0 360.0 47.1 360.0 43.7 21.8 0.6